3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2,4,5-trimethoxybenzyl)propionamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CCSC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CCSC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C20H22N2O4S2/c1-24-15-11-17(26-3)16(25-2)10-13(15)12-21-19(23)8-9-27-20-22-14-6-4-5-7-18(14)28-20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)